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71.
Thomas A. Elwood Kenneth H. Dudley Joan M. Tesarek Peter F. Rogerson Maurice M. Bursey 《Journal of mass spectrometry : JMS》1970,3(7):841-861
Several alkylhydroxynaphthoquinones and chemically related cyclic compounds were subjected to mass spectrometric investigation. Fragmentation pathways were elucidated by use of metastable ions, relative intensities of normal ions and accurate mass measurement. In these series, differences in the spectra of 1,2- and 1,4-naphthoquinones are slight. Evidence for ring expansion in ions from furans is suggested. 相似文献
72.
The C5H5+ fragment ion bound in many EI spectra is determined not to be cyclopentadienyl cation by CID-MIKE spectrometry. 相似文献
73.
Maurice R. Kibler 《International journal of quantum chemistry》1975,9(3):403-420
The aim of this paper is to explore in detail the mathematical connection between the point-charge electrostatic model and the angular overlap model. More precisely, for any configuration nlx in any symmetry, the matrix elements, and therefore the energy levels, as given by the angular overlap model restricted to the antibonding effects λ (for any of the possible λ's), are deduced from an effective potential constructed according to the point-charge electrostatic model. This allows us to give a mathematical proof of the equivalence between the point-charge electrostatic model and the angular overlap model taking into account all the antibonding effects λ. Finally, the sum rules for the angular overlap model are examined in the light of the formulae connecting the two models considered. Numerical tables for obtaining the results as given by the angular overlap model restricted to any of the antibonding effects from those as given by the point-charge electrostatic model are listed for the configurations nlx with l = p, d, f and g. 相似文献
74.
75.
(+)-Parviflorine (), found in Lam. (Fumariaceae), is the first known glycosidic spirobenzylisoquinoline alkaloid. Its acid hydrolysis yields (+)-parfumine () and D-glucose. Klyne's rule indicates that is a β-D-glucoside. The absolute configuration shown in expressions is predominant among spirobenzylisoquinolines. A generalization has been drawn between plant source and the oxygenation pattern of ring C for the spirobenzylisoquinoline alkaloids. 相似文献
76.
77.
S. Asghari Ahmed Peter W. Hickmott Maurice W. Cooper Ian A. Stenhouse 《Magnetic resonance in chemistry : MRC》1980,14(4):296-299
The 220 MHz 1H NMR spectra of 6-hydroxy-7-methyl-6-phenyladamantane-2,4-dione, 6-hydroxy-5,7-dimethyl-6-phenyladamantane-2,4-dione, and 6-hydroxy-7,9-dimethyl-6-phenyladamantane-2,4-dione have been determined and complete proton assignments carried out with the aid of multiple irradiation. The stereochemistry of the C-6 and C-9 chiral centres have been determined and some of the factors affecting the magnitude of the geminal, vicinal and W coupling constants are discussed. 相似文献
78.
The order within proton pairs in organic molecules, resulting from hydrogenation with parahydrogen, can be transferred in great part to nearby carbon 13 spins through adequate field manipulations. The molecules with hyperpolarized 13C thus obtained can be used as new contrast agents of high efficiency in MRI. After a brief presentation of the hydrogenation process and apparatus, in relatively low magnetic field, we describe the procedure of order transfer to the 13C spins through a sudden drop from the initial field to zero field followed by an adiabatic remagnetization. The expected final polarizations in the absence of relaxation are given for several compounds. Finally, we show an example of MR images observed in vivo on animals as an illustration of the contrast capacity of this new method. 相似文献
79.
Reaction of bis(phosphinite) PCP iridium pincer complexes (p-XPCP)IrHCl (5a-f) [X = MeO (5a), Me (5b), H (5c), F (5d), C(6)F(5) (5e), Ar(F)(= 3,5-bis(trifluoromethyl)phenyl) (5f)] with NaOtBu in neat cyclooctane (COA) generates 1:1 mixtures of the respective (p-XPCP)IrH(2) complexes 4a-f and the cyclooctene (COE) olefin complexes (p-XPCP)Ir(COE) (6a-f) at 23 degrees C. At higher temperatures, complexes 4 and 6 are equilibrated because of the degenerate transfer dehydrogenation of COA with free COE (6 + COA right harpoon over left harpoon 4 + 2COE), as was shown by temperature-dependent equilibrium constants and spin saturation transfer experiments at 80 degrees C. At this temperature, the COE complexes 6 exchange with free COE on the NMR time scale with the more electron-deficient complexes 6 exchanging COE faster. The exchange is dissociative and zero order in [COE]. Further analysis reveals that the stoichiometric hydrogenation of COE by complex 4f, and thus the separated back reaction 4f + 2COE --> 6f + COA proceeds at temperatures as low as -100 degrees C with the intermediacy of two isomeric complexes (p-Ar(F)PCP)Ir(H)(2)(COE) (8f, 8f'). COE deuteration with the perdeuterated complex 4f-d(38) at -100 degrees C results in hydrogen incorporation into the hydridic sites of complexes 8f,8f'-d(38) but not in the hydridic sites of complex 4f-d(38), thus rendering COE migratory insertion in complexes 8f,8f' reversible and COE coordination by complex 4f rate-determining for the overall COE deuteration. 相似文献
80.
Endre?Bj?rndal Maurice?KosterEmail author Stef?Tijs 《Mathematical Methods of Operations Research》2004,59(2):249-270
In this paper we consider standard fixed tree games, for which each vertex unequal to the root is inhabited by exactly one player. We present two weighted allocation rules, the weighted down-home allocation and the weighted neighbour-home allocation, both inspired by the painting story in Maschler et al. (1995) . We show, in a constructive way, that the core equals both the set of weighted down-home allocations and the set of weighted neighbour allocations. Since every weighted down-home allocation specifies a weighted Shapley value (Kalai and Samet (1988)) in a natural way, and vice versa, our results provide an alternative proof of the fact that the core of a standard fixed tree game equals the set of weighted Shapley values. The class of weighted neighbour allocations is a generalization of the nucleolus, in the sense that the latter is in this class as the special member where players have all equal weights. 相似文献